Beta-complex of bio-molecules and its applications

초록

The geometric structure of bio-molecules such as proteins is one of the most important factors determining their functions. However, the correct and efficient analysis of the geometric charactersitics of bio-molecules is not an easy task at all due to the size of atoms in the molecules. Important geometric characteristics include the computations of the molecular surface, the volume of the molecule, the interaction interface between two molecules, the recognition of pockets, the similarity between two proteins, the superposition of two proteins, etc.